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An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
The name originated from ava (the programming language) + [mol]ecules, and also the mol file format. JSmol is an implementation in JavaScript of the functionality of Jmol. [ 4 ] It can hence be embedded in web pages to display interactive 3D models of molecules and other structures without the need for any software apart from the web browser ...
Proprietary, free trial available Wavefunction, Inc. TeraChem: No No Yes Yes No No Yes No Yes High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available ...
One lb-mol is equal to 453.592 37 g‑mol, [6] which is the same numerical value as the number of grams in an international avoirdupois pound. Greenhouse and growth chamber lighting for plants is sometimes expressed in micromoles per square metre per second, where 1 mol photons ≈ 6.02 × 10 23 photons. [ 7 ]
The Molecular Operating Environment was developed by the Chemical Computing Group under the supervision of President/CEO Paul Labute. [3] Founded in 1994 [4] and based in Montreal, Quebec, Canada, this private company is dedicated to developing computation software that will challenge, revolutionize, and aid in the scientific methodology.
The molar mass is defined as the mass of a given substance divided by the amount of the substance, and is expressed in grams per mol (g/mol). That makes the molar mass an average of many particles or molecules (potentially containing different isotopes), and the molecular mass the mass of one specific particle or molecule. The molar mass is ...
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